5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole

C24H27F3N6O — CID 144695068

IUPAC5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(CCC(F)(F)F)C6(CC6)C5)ncn4)c3c2)CC1
InChIInChI=1S/C24H27F3N6O/c1-22(4-5-22)34-16-2-3-18-17(12-16)21(31-30-18)19-13-20(29-15-28-19)32-10-11-33(9-8-24(25,26)27)23(14-32)6-7-23/h2-3,12-13,15H,4-11,14H2,1H3,(H,30,31)
InChIKeyGEMUDSAUCXPZLZ-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.56
Rot. Bonds6

About 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole

5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole (PubChem CID 144695068) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole
PubChem CID144695068
Molecular FormulaC24H27F3N6O
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole
SMILESCC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(CCC(F)(F)F)C6(CC6)C5)ncn4)c3c2)CC1
InChIInChI=1S/C24H27F3N6O/c1-22(4-5-22)34-16-2-3-18-17(12-16)21(31-30-18)19-13-20(29-15-28-19)32-10-11-33(9-8-24(25,26)27)23(14-32)6-7-23/h2-3,12-13,15H,4-11,14H2,1H3,(H,30,31)
InChIKeyGEMUDSAUCXPZLZ-UHFFFAOYSA-N
XLogP4.56
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-methylcyclopropyl)oxy-3-[6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
CID 165137321
2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 90398437
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
CID 90398386
2-methyl-8-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 78324899
5-(1-methylcyclopropyl)oxy-3-[6-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-4-yl]-1H-indazole
CID 90398252
3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 78324278
3-[6-(3-iodopyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165138096
3-[6-[3-[(4-fluoropiperidin-4-yl)methoxy]azetidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165136830
methylidyne-[(1S,5R,6S)-6-methyl-3-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]azanium
CID 165137846
(3S,4S)-4-methoxy-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 90398251
3-[6-[4-[[4-[(3-fluoroazetidin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165137965

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole?
The IUPAC name of 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole (CID 144695068) is 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole.
What is the SMILES notation for 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole?
The canonical SMILES for 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole is CC1(Oc2ccc3[nH]nc(-c4cc(N5CCN(CCC(F)(F)F)C6(CC6)C5)ncn4)c3c2)CC1.
What is the InChIKey of 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole?
The InChIKey is GEMUDSAUCXPZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O/c1-22(4-5-22)34-16-2-3-18-17(12-16)21(31-30-18)19-13-20(29-15-28-19)32-10-11-33(9-8-24(25,26)27)23(14-32)6-7-23/h2-3,12-13,15H,4-11,14H2,1H3,(H,30,31).
What are the key properties of 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole?
5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole has a molecular weight of 472.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclopropyl)oxy-3-[6-[4-(3,3,3-trifluoropropyl)-4,7-diazaspiro[2.5]octan-7-yl]pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 144695068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).